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#$Date: 2016-11-16 03:18:31 +0200 (Wed, 16 Nov 2016) $
#$Revision: 188483 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/30/2003012.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2003012
loop_
_publ_author_name
'Sciau, Philippe'
'Calvarin, Gilbert'
'Ravez, Jean'
_publ_section_title
;
 Structures des phases para\'electrique et ferro\'electrique de
 Pb~2~KNb~5~O~15~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              459
_journal_page_last               466
_journal_paper_doi               10.1107/S0108768198017984
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'K Nb5 O15 Pb2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/mbm'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   12.6460(10)
_cell_length_b                   12.6460(10)
_cell_length_c                   3.9551(2)
_cell_measurement_temperature    790
_diffrn_radiation_type           'Cu K\b'
_diffrn_radiation_wavelength     1.39217
_cod_database_code               2003012
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x,y,-z
-x,-y,+z
y,-x,-z
-y,+x,+z
-y,x,-z
+y,-x,+z
1/2+x,1/2-y,z
-1/2-x,-1/2+y,-z
1/2-x,1/2+y,z
-1/2+x,-1/2-y,-z
1/2-y,1/2-x,z
-1/2+y,-1/2+x,-z
1/2+y,1/2+x,z
-1/2-y,-1/2-x,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb(p) 0.1421(5) 0.6900(4) 0.5 0.55
K(p) 0.1940(16) 0.6940(16) 0.5 0.45
Pb(c) 0 0 0.5 0.90
K(c) 0 0 0.5 0.10
Nb(1) 0 0.5 0 1
Nb(2) 0.0747(2) 0.2139(2) 0 1
O(1) 0 0.5 0.5 1
O(2) -0.0047(11) 0.3457(10) 0 1
O(3) 0.0769(11) 0.2065(11) 0.5 1
O(4) 0.2218(9) 0.2782(9) 0 1
O(5) 0.1385(10) 0.0647(11) 0 1